2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide

C22H18N2O3 — CID 110417859

IUPAC2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Nc1cccc2nc(C)oc12
InChIInChI=1S/C22H18N2O3/c1-14-23-18-9-6-10-19(21(18)27-14)24-22(25)17-13-16(11-12-20(17)26-2)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,25)
InChIKeyFJPOQXMBVPKWSQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.06
Rot. Bonds4

About 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide

2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide (PubChem CID 110417859) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide
PubChem CID110417859
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Nc1cccc2nc(C)oc12
InChIInChI=1S/C22H18N2O3/c1-14-23-18-9-6-10-19(21(18)27-14)24-22(25)17-13-16(11-12-20(17)26-2)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,25)
InChIKeyFJPOQXMBVPKWSQ-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
CID 110356761
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide?
The IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide (CID 110417859) is 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide is COc1ccc(-c2ccccc2)cc1C(=O)Nc1cccc2nc(C)oc12.
What is the InChIKey of 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide?
The InChIKey is FJPOQXMBVPKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-23-18-9-6-10-19(21(18)27-14)24-22(25)17-13-16(11-12-20(17)26-2)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide?
2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide is sourced from PubChem (CID 110417859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).